6-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]nicotinonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H22N4O/c22-13-16-5-6-20(23-14-16)24-10-8-18(9-11-24)21(26)25-12-7-17-3-1-2-4-19(17)15-25/h1-6,14,18H,7-12,15H2